SCHEMBL3443236

SCHEMBL3443236

CN(Cc1ccccc1)c1ncc(C(=O)O)c(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.55
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
THRB P10828 2/20 0.44
CNR1 P21554 1/20 0.44
PDK1 Q15118 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RPS6KB1 P23443 1/20 0.42
HPGD P15428 1/20 0.41
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3443764 0.86 SMN1; SMN2 (0.63) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL3443785 0.85 MEN1 (0.44) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL3443621 0.85 CASR (0.45) CASRMEN1KMT2ACNR1PDK1
SCHEMBL3443137 0.84 CASR (0.44) CASRKMT2ACNR1
SCHEMBL3442805 0.84 CASR (0.44) CASRMEN1KMT2APDK1ALDH1A1
SCHEMBL3443111 0.84 CASR (0.44) CASRMEN1KMT2APDK1ALDH1A1
SCHEMBL13996894 0.84 CASR (0.45) CASRMEN1KMT2AALDH1A1LMNA
SCHEMBL3442522 0.83 HPGD (0.59) MEN1KMT2APDK1ALDH1A1LMNA
SCHEMBL3443206 0.82 CASR (0.53) CASRMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3442660 0.81 CASR (0.43) CASRMEN1KMT2ATHRBCNR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812031-B2 such as 2-Dimethylamino-4-phenylpyrimidine-5-carboxylic acid [2-hydroxy-2-(3-hydroxyphenyl)ethyl]methyl amide, used for the treatment of obesity, including obesity of the non-insulin-dependent diabetes patients, sleeping disorders, stroke, nausea and vomiting SANOFI-AVENTIS (FR) 2010-10-12 US claimed
EP-1718632-B1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-04-22 EP claimed
JP-2007522197-A 2007-08-09 JP claimed
US-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-02-22 US claimed
EP-1718632-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2006-11-08 EP claimed
WO-2005075458-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTORS ANTAGONISTS SANOFI-AVENTIS (FR) 2005-08-18 WO claimed
US-7812031-B2 such as 2-Dimethylamino-4-phenylpyrimidine-5-carboxylic acid [2-hydroxy-2-(3-hydroxyphenyl)ethyl]methyl amide, used for the treatment of obesity, including obesity of the non-insulin-dependent diabetes patients, sleeping disorders, stroke, nausea and vomiting SANOFI-AVENTIS (FR) 2010-10-12 US disclosed
EP-1718632-B1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-04-22 EP disclosed
US-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-02-22 US disclosed
EP-1718632-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2006-11-08 EP disclosed
WO-2005075458-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTORS ANTAGONISTS SANOFI-AVENTIS (FR) 2005-08-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070043037-A1 PYRIMIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R CASR 439/4885MEN1 2246/4885KMT2A 1620/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.